AG001DRA

14617-86-8 | Octadecanoic acid, 4-nitrophenyl ester

AG001DRA

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CAS Number	14617-86-8
Catalog Number	AG001DRA(AGN-PC-0LA822)
Chemical Name	Octadecanoic acid, 4-nitrophenyl ester
IUPAC Name	(4-nitrophenyl) octadecanoate
InChI	InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h18-21H,2-17H2,1H3
InChI Key	HAIZAZONHOVLEK-UHFFFAOYSA-N
MDL Number	MFCD00047733
Molecular Formula	C24H39NO4
Molecular Weight	405.5708
SMILES	CCCCCCCCCCCCCCCCCC(OC1=CC=C([N+]([O-])=O)C=C1)=O
Synonyms	4-Nitrophenyl stearate, 14617-86-8, 4-Nitrophenyl octadecanoate, P-NITROPHENYL STEARATE, Octadecanoic acid, 4-nitrophenyl ester, MFCD00047733, Octadecanoic acid 4-nitrophenyl ester, (4-nitrophenyl) Octadecanoate, AC1N9IAQ, SCHEMBL135634, CTK4C4847, KS-00000GXV, DTXSID90402716, 7239AA, ZINC86045591, Octadecanoic acid,4-nitrophenyl ester, AKOS015890833, 4-Nitrophenyl stearate lipase substrate, DS-6252, MCULE-7673671055, 4-Nitrophenyl stearate, lipase substrate, AK113280, AX8148454, FT-0637114, ST50331304, C-50307, I01-7681, J-008199, C24H39NO4, CID4386004,

Complexity	414
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	405.288g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	405.579g/mol
Monoisotopic Mass	405.288g/mol
Rotatable Bond Count	18
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317
Precuationary statements	P261-P280
Siginal words

Certificate of Analysis

Lot Number